N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine

C16H27N3 — CID 63211277

IUPACN-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
SMILESCNCc1ccc(CN(C)CCN2CCCC2)cc1
InChIInChI=1S/C16H27N3/c1-17-13-15-5-7-16(8-6-15)14-18(2)11-12-19-9-3-4-10-19/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyFJMMPYAOMAUMGG-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.93
Rot. Bonds7

About N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine

N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 63211277) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID63211277
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
SMILESCNCc1ccc(CN(C)CCN2CCCC2)cc1
InChIInChI=1S/C16H27N3/c1-17-13-15-5-7-16(8-6-15)14-18(2)11-12-19-9-3-4-10-19/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyFJMMPYAOMAUMGG-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide
CID 105351782
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 55162446
N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63209215
N-methyl-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-amine
CID 79233628
N,N'-dimethyl-N'-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 10105808
N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 10266776
N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine
CID 43818752
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 106785505
N-[(4-chloro-3-nitrophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 63207497
N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 63210843
3-[2-fluoro-5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 63211061

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine (CID 63211277) is N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine is CNCc1ccc(CN(C)CCN2CCCC2)cc1.
What is the InChIKey of N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is FJMMPYAOMAUMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-17-13-15-5-7-16(8-6-15)14-18(2)11-12-19-9-3-4-10-19/h5-8,17H,3-4,9-14H2,1-2H3.
What are the key properties of N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine?
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 63211277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).